[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate

C10H8Cl2F2N2O3 — CID 19296098

IUPAC[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate
SMILESCOc1ccc(Cl)cc1/C(N)=N/OC(=O)C(F)(F)Cl
InChIInChI=1S/C10H8Cl2F2N2O3/c1-18-7-3-2-5(11)4-6(7)8(15)16-19-9(17)10(12,13)14/h2-4H,1H3,(H2,15,16)
InChIKeyKENNUFPRIKXBRP-UHFFFAOYSA-N
MW313.09 g/mol
LogP2.34
Rot. Bonds4

About [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate

[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate (PubChem CID 19296098) has the molecular formula C10H8Cl2F2N2O3 and a molecular weight of 313.09 g/mol. Its IUPAC name is [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate.

Molecular Properties

Compound Name[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate
PubChem CID19296098
Molecular FormulaC10H8Cl2F2N2O3
Molecular Weight313.09 g/mol
Exact Mass311.99
IUPAC Name[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate
SMILESCOc1ccc(Cl)cc1/C(N)=N/OC(=O)C(F)(F)Cl
InChIInChI=1S/C10H8Cl2F2N2O3/c1-18-7-3-2-5(11)4-6(7)8(15)16-19-9(17)10(12,13)14/h2-4H,1H3,(H2,15,16)
InChIKeyKENNUFPRIKXBRP-UHFFFAOYSA-N
XLogP2.34
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.09
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate
CID 19296203
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 1-ethylpyrazole-3-carboxylate
CID 19295902
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate
CID 19296169
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 19296053
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 1,5-dimethylpyrazole-4-carboxylate
CID 19295965
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] (Z)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 19295940
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 19296042
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate
CID 19296166
5-chloro-2-methoxybenzoate
CID 6933314
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 62789919
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-dimethoxybenzoate
CID 19293781
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,3,4-trimethoxybenzoate
CID 19293785

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate?
The IUPAC name of [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate (CID 19296098) is [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate.
What is the SMILES notation for [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate?
The canonical SMILES for [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate is COc1ccc(Cl)cc1/C(N)=N/OC(=O)C(F)(F)Cl.
What is the InChIKey of [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate?
The InChIKey is KENNUFPRIKXBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F2N2O3/c1-18-7-3-2-5(11)4-6(7)8(15)16-19-9(17)10(12,13)14/h2-4H,1H3,(H2,15,16).
What are the key properties of [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate?
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate has a molecular weight of 313.09 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate is sourced from PubChem (CID 19296098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).